IQ Tree on XSEDE 1.5.4 Efficient phylogenomic software by maximum likelihood, run on XSEDE L.-T. Nguyen, H.A. Schmidt, A. von Haeseler, and B.Q. Minh L.-T. Nguyen, H.A. Schmidt, A. von Haeseler, and B.Q. Minh (2015) IQ-TREE: A fast and effective stochastic algorithm for estimating maximum likelihood phylogenies. Mol. Biol. Evol., 32:268-274. DOI: 10.1093/molbev/msu300 Phylogeny / Alignment iqtree_xsede iqtree_invoke perl "" 0 number_nodes 2 scheduler.conf perl "nodes=1\\n" . "node_exclusive=1\\n" . "jobtype=mpi\\n" . "mpi_processes=$num_mpi\\n" . "threads_per_process=$specify_numcores\\n" infile Input Alignment infile.txt perl "-s infile.txt" 1 runtime 1 scheduler.conf Maximum Hours to Run (up to 168 hours) 0.5 The maximum hours to run must be less than 168 perl $runtime > 168.0 The maximum hours to run must be greater than 0.05 perl $runtime < 0.05 perl "runhours=$value\\n" The job will run on $specify_numcores processors as configured. If it runs for the entire configured time, it will consume $specify_numcores x $runtime cpu hours perl $runtime ne 0 Estimate the maximum time your job will need to run. We recommend testimg initially with a < 0.5hr test run because Jobs set for 0.5 h or less depedendably run immediately in the "debug" queue. Once you are sure the configuration is correct, you then increase the time. The reason is that jobs > 0.5 h are submitted to the "normal" queue, where jobs configured for 1 or a few hours times may run sooner than jobs configured for the full 168 hours. specify_numcores Specify the number of cores (-nt) 1 2 4 5 8 12 16 20 24 perl "-nt $value" 3 num_mpi Specify the number of mpi processes 1 2 4 5 8 12 16 20 24 The number of mpi processes x number of cores must b less than 25 perl $num_mpi * $specify_numcores > 24 3 specify_runtype Select the kind of run you need 1 2 3 sequence_type Specify your sequence type (-st) perl ($value ne "CODON" && $value ne "NT2AA") ? "-st $value":"" DNA AA BIN MORPH CODON NT2AA DNA 1 codon_type Specify your Codon type perl $sequence_type eq "CODON" perl ($value NE CODON && $value NE NT2AA) ? "-st $value":"" CODON1 CODON2 CODON3 CODON4 CODON5 CODON6 CODON9 CODON10 CODON11 CODON12 CODON13 CODON14 CODON16 CODON21 CODON22 CODON23 CODON24 CODON25 CODON1 3 nt2aa_type Specify your translation table perl $sequence_type eq "NT2AA" perl "-st $value" NT2AA1 NT2AA2 NT2AA3 NT2AA4 NT2AA5 NT2AA6 NT2AA9 NT2AA10 NT2AA11 NT2AA12 NT2AA13 NT2AA14 NT2AA16 NT2AA21 NT2AA22 NT2AA23 NT2AA24 NT2AA25 NT2AA1 3 partition_type Please specify your partition type -q -spp -sp perl (defined $value) ? "$partition_type partition.txt":"" partition_file Please select your partition file perl defined $partition_type partition.txt starting_tree Specify a starting (or other) tree file (-t) treefile.tre perl (defined $value) ? "-t treefile.tre":"" 3 use_nj Use a NJ starting tree (-t BIONJ) perl !defined $starting_tree perl ($value) ? "-t BIONJ":"" Sorry, you cannot choose both a random and a NJ starting tree perl $use_nj && $use_random 3 use_random Use a Random starting tree (-t RANDOM) perl !defined $starting_tree perl ($value) ? "-t RANDOM":"" 3 specify_outgroup Specify the outgroup (-o) perl (defined $value) ? "-o $value":"" 3 specify_prefix Specify the prefix for output files (-pre) perl (defined $value) ? "-pre $value":"" output 3 specify_seed Specify the seed (-seed) perl (defined $value) ? "-seed $value":"" 3 specify_quartets Specify number of quartets (-lmap) perl (defined $value) ? "-lmap $value":"" 3 =model_selection Automatic Model Selection Parameters specify_model Test for the best model (-m TEST) perl $specify_runtype == 1 TESTONLY TEST TESTNEWONLY TESTNEW TESTMERGEONLY TESTMERGE TESTNEWMERGEONLY TESTNEWMERGE perl (defined $value) ? "-m $value":"" 3 specify_rcluster Specify the percentage for relaxed clustering algorithm (-rcluster) perl $specify_runtype == 1 perl (defined $value) ? "-rcluster $value":"" 3 specify_basemodels Specify names of the base models or program (-mset) perl $specify_runtype == 1 perl (defined $value) ? "-mset $value":"" 3 For -mset, specify the name of a program (raxml, phyml or mrbayes) to restrict to only those models supported by the specified program. Alternatively, one can specify a comma-separated list of base models. For example, -mset WAG,LG,JTT will restrict model selection to WAG, LG, and JTT instead of all 18 AA models to save computations. specify_aamodels Specify nuclear, mitochondrial, chloroplast or viral (-msub, protein) perl $sequence_type eq "AA" && $specify_runtype == 1 nuclear mitochondrial chloroplast viral perl (defined $value) ? "-msub $value":"" 3 specify_freqtypes Specify a comma-separated list of frequency types for model selection (-mfreq) perl $specify_runtype == 1 perl (defined $value) ? "-mfreq $value":"" 3 specify_ratehettypes Specify a comma-separated list of rate heterogeneity types for model selection (-mrate) perl $specify_runtype == 1 perl (defined $value) ? "-mrate $value":"" 3 specify_mincat Specify minimum number of categories for FreeRate model (-cmin) perl $specify_runtype == 1 perl (defined $value) ? "-cmin $value":"" 3 specify_maxcat perl $specify_runtype == 1 Specify maximum number of categories for FreeRate model (-cmax) perl (defined $value) ? "-cmax $value":"" 3 specify_merit Specify either AIC, AICc or BIC for the optimality criterion (-merit) perl $specify_runtype == 1 perl (defined $value) ? "-merit $value":"" 3 specify_fulltreesearch Turn on full tree search for each model considered, to obtain more accurate result. (-mtree) perl $specify_runtype == 1 perl (defined $value) ? "-mtree $value":"" 3 specify_addlmodels Specify a comma-separated list of mixture models to additionally consider for model selection. (-madd) perl $specify_runtype == 1 perl (defined $value) ? "-madd $value":"" 3 specify_subst Specify Substitution Models dnamodel_string perl $sequence_type eq "DNA" && $specify_runtype == 2 perl " -m $specify_dnamodel$specify_modelfreq$specify_modelrate$asc_bias" specify_dnamodel Specify a DNA model (-m ) perl $sequence_type eq "DNA" && $specify_runtype == 2 JC69 F81 K80 HKY TN93 TNe K81 K81u TPM2 TPM2u TPM3 TPM3u TIM TIMe TIM2 TIM2e TIM3 TIM3e TVM TVMe SYM GTR 3 aamodel_string perl $sequence_type eq "AA" && $specify_runtype == 2 perl -m $specify_protmodel$specify_modelfreq$specify_modelrate specify_protmodel Specify a Protein model (-m ) perl $sequence_type eq "AA" || $sequence_type eq "NT2AA" BLOSUM62 cpREV Dayhoff DCMut FLU HIVb HIVw JTT JTTDCMut LG mtART mtMAM mtREV mtZOA Poisson PMB rtREV VT WAG C10 C20 C30 C40 C50 C60 EX2 EX3 EHO UL2 UL3 EX_EHO LG4M LG4X CF4 3 binmodel_string perl $sequence_type eq "BIN" && $specify_runtype == 2 perl -m $specify_binmodel$specify_modelfreq$specify_modelrate specify_binmodel Specify a Binary/Morphological model (-m ) perl ($sequence_type eq "BIN" || $sequence_type eq "MORPH") && $specify_runtype == 2 JC2 GTR2 MK ORDERED 3 codonmodel_string perl $sequence_type eq "CODON" && $specify_runtype == 2 perl -m $specify_codonmodel$specify_modelfreq$specify_modelrate specify_codonmodel Specify a Codon model (-m ) perl $sequence_type eq "CODON" && $specify_runtype == 2 MG MGK MG1KTS MG1KTV MG2K GY GY1KTS GY1KTV GY2K KOSI07 ECMrest SCHN05 3 specify_modelfreq Specify model frequency perl $specify_runtype == 2 +F +FO +FQ +F1x4 +F3x4 3 specify_modelrate Specify rate heterogeneity perl $specify_runtype == 2 +I +G +I+G +R +I+R 3 asc_bias Correct for Ascertainment bias (+ASC) perl $specify_runtype == 2 +ASC 2 This is useful for binary/morphological datasets that only contain variable sites (the identical morphological features are usually not included in the alignments, hence you need to correct for this, see, e.g., http://sysbio.oxfordjournals.org/content/50/6/913.short).For DNA data this option might be useful when you analyze alignments of SNPs that also don't contain constant sites. Note that, for mathematical and numerical reasons you can not apply an ascertainment bias correction to datasets or partitions that contain constant sites. gamma_shape Specify the Gamma shape parameter (-a) perl $specify_runtype == 2 perl (defined $value ) ? "-a $value":"" median_approximation Perform the median approximation for Gamma rate heterogeneity (-gmedian) perl $specify_runtype == 2 perl ($value ) ? "-gmedian":"" Perform the median approximation for Gamma rate heterogeneity instead of the default mean approximation (Yang, 1994) invariable_sites Specify the proportion of invariable sites (-i) perl $specify_runtype == 2 perl (defined $value ) ? "-i $value":"" thorough_estimation Perform more thorough estimation for +I+G model parameters (--opt-gamma-inv) perl $specify_runtype == 2 perl ($value ) ? "--opt-gamma-inv":"" per_sitefile Write per-site rates to .rate file (-wsr) perl $specify_runtype == 2 perl ($value ) ? "-wsr":"" tree_search_params Tree Search Parameters num_parstrees Specify number of initial parsimony trees (-ninit) perl $specify_runtype == 2 perl (defined $value ) ? "-ninit $value":"" Specify number of initial parsimony trees. DEFAULT: 100. Here the PLL library (Flouri et al., 2015) is used, which implements the randomized stepwise addition and parsimony subtree pruning and regafting (SPR). num_topparstrees Specify number of top initial parsimony trees (-ntop) perl $specify_runtype == 2 perl (defined $value ) ? "-ntop $value":"" Specify number of top initial parsimony trees to optimize with ML nearest neighbor interchange (NNI) search to initialize the candidate set. DEFAULT: 20 num_besttrees Number of trees in the candidate set to maintain (-nbest) perl $specify_runtype == 2 perl (defined $value ) ? "-nbest $value":"" Specify number of trees in the candidate set to maintain during ML tree search. DEFAULT: 5 num_unsucctostop Number of unsuccessful iterations to stop (-nstop) perl $specify_runtype == 2 perl (defined $value ) ? "-nstop $value":"" Specify number of unsuccessful iterations to stop. DEFAULT: 100 num_tostop Number of iterations to stop (-n) perl $specify_runtype == 2 && $bootstrap_type ne "b" perl (defined $value ) ? "-n $value":"" Sorry, the -n parameter cannot be used with Ultrafast Bootstrapping perl (defined $value) && $bootstrap_type eq "bb" Specify number of iterations to stop. This option overrides -nstop criterion. Use -n 0 to only estimate model parameters on an initial parsimony tree and ignore a full tree search to save time specify_radius SPR radius for the initial search (-sprrad) perl $specify_runtype == 2 perl (defined $value ) ? "-sprrad $value":"" Specify SPR radius for the initial parsimony tree search. DEFAULT: 6 perturb_strength Perturbation strength (between 0 and 1) (-pers) perl $specify_runtype == 2 perl (defined $value ) ? "-pers $value":"" Specify perturbation strength (between 0 and 1) for randomized NNI. DEFAULT: 0.5 slower_NNI Turn on more thorough and slower NNI search (-allnni) perl $specify_runtype == 2 perl ($value ) ? "-allnni":"" Turn on more thorough and slower NNI search. It means that IQ-TREE will consider all possible NNIs instead of only those in the vicinity of previously applied NNIs. DEFAULT: OFF no_mlpairwise Avoid computing ML pairwise distances and BIONJ tree (-djc) perl $specify_runtype == 2 perl ($value ) ? "-djc":"" Avoid computing ML pairwise distances and BIONJ tree. constraint_file Specify a topological constraint tree file in NEWICK format (-g) perl $specify_runtype == 2 constraintfile.txt perl (defined $value ) ? "-g constraintfile.txt":"" Specify a topological constraint tree file in NEWICK format. The constraint tree can be a multifurcating tree and need not to include all taxa. ultrafast_search_params Bootstrap Search Parameters bootstrap_type Bootstrap Type bb b bo bc bb num_bootreps Specify number of bootstrap replicates (>=1000) perl defined $bootstrap_type perl (defined $value ) ? "-$bootstrap_type $value":"" The value of bootstraps must be less than or equal to 1,000 perl $num_bootreps > 1000 -b: Specify number of bootstrap replicates (recommended >=100). This will perform both bootstrap and analysis on original alignment and provide a consensus tree. -bc Like -b but omit analysis on original alignment. -bo Like -b but only perform bootstrap analysis (no analysis on original alignment and no consensus tree). write_boottrees Turn on writing bootstrap trees to .ufboot file (-wbt) perl defined $bootstrap_type perl ($value) ? "-wbt":"" 0 Turn on writing bootstrap trees to .ufboot file. DEFAULT: OFF write_boottrees1 Turn on writing bootstrap trees with branch lengths (-wbtl) perl defined $bootstrap_type perl ($value) ? "-wbtl":"" 0 Turn on writing bootstrap trees with branch lengths (-wbt1) DEFAULT: OFF max_iters Specify maximum number of iterations to stop. (-nm) perl defined $bootstrap_type perl (defined $value ) ? "-nm $value":"" Specify maximum number of iterations to stop. DEFAULT: 1000 cc_ufboot Minimum correlation coefficient for UFBoot convergence criterion (-bcor) perl defined $bootstrap_type perl (defined $value ) ? "-bcor $value":"" Specify minimum correlation coefficient for UFBoot convergence criterion. DEFAULT: 0.99 iter_interval Iteration interval checking for UFBoot convergence (-nstep) perl defined $bootstrap_type perl (defined $value ) ? "-nstep $value":"" Step size must be a multiple of 2 perl ((($iter_interval) % 2) != 0) Step size must be at least 10 perl $iter_interval < 10 Specify iteration interval checking for UFBoot convergence. DEFAULT: every 100 iterations specify_tiebreaker SPR radius for the initial search (-beps) perl defined $bootstrap_type perl (defined $value ) ? "-beps $value":"" Specify a small epsilon to break tie in RELL evaluation for bootstrap trees. DEFAULT: 0.5 part_resample Resampling strategies for partitioned analysis (-bspec) GENE GENESITE perl (defined $value ) ? "-bspec $value":"" Specify the resampling strategies for partitioned analysis. By default, IQ-TREE resamples alignment sites within partitions. With -bspec GENE IQ-TREE will resample partitions. With -bspec GENESITE IQ-TREE will resample partitions and then resample sites within resampled partitions (Gadagkar et al., 2005). single_brancht Single Branch Tests sh_test SH-Like Test perl $bootstrap_type ne "b" && $bootstrap_type ne "bo" && $bootstrap_type ne "bc" perl ($value) ? "-alrt $num_replicates":"" abayes_test Approximate Bayes test perl $bootstrap_type ne "b" && $bootstrap_type ne "bo" && $bootstrap_type ne "bc" perl ($value) ? "-abayes $num_replicates":"" lbp_test Fast local bootstrap probability perl $bootstrap_type ne "b" && $bootstrap_type ne "bo" && $bootstrap_type ne "bc" perl ($value) ? "-lbp $num_replicates":"" num_replicates Specify number of replicates (1000 or less) perl $sh_test || $abayes_test || $lbp_test The value of bootstraps must be less than or equal to 1,000 perl $num_replicates > 1000 -b: Specify number of bootstrap replicates (recommended >=100). This will perform both bootstrap and analysis on original alignment and provide a consensus tree. -bc Like -b but omit analysis on original alignment. -bo Like -b but only perform bootstrap analysis (no analysis on original alignment and no consensus tree). tree_topology Tree Topology Tests specify_treefile Specify a file containing a set of trees treefile1.tre perl (defined $value) ? "-z treefile1.tre":"" num_rell Specify the number of RELL replicates (-zb) perl (defined $value) ? "-zb $value":"" Sorry, the number of RELL replicates cannot exceed 1,000 perl $num_rell > 1000 -zb Specify the number of RELL (Kishino et al., 1990) replicates (>=1000) to perform several tree topology tests for all trees passed via -z. The tests include bootstrap proportion (BP), KH test (Kishino and Hasegawa, 1989), SH test (Shimodaira and Hasegawa, 1999) and expected likelihood weights (ELW) (Strimmer and Rambaut, 2002). weighted_tests Perform the weighted-KH and weighted-SH tests perl defined $num_rell perl ($value) ? "-zw":"" unbiased_test Perform the approximately unbiased (AU) test perl defined $num_rell perl ($value) ? "-au":"" fixed_usertree Specify a fixed user tree to estimate model parameters fixed_usertree.tre perl ($value) ? "-te fixed_usertree.tre":"" -te Specify a fixed user tree to estimate model parameters. Thus it behaves like -n 0 but uses a user-defined tree instead of parsimony tree. consensus_tree Consesnsus Trees tree_file1 Specify a file containing a set of trees treefile1.tre perl (defined $value) ? "-t treefile1.tre":"" compute_consensustree Compute consensus tree of the trees passed via -t (-con) perl defined $tree_file1 perl ($value) ? "-con":"" -con Compute consensus tree of the trees passed via -t. Resulting consensus tree is written to .contree file. compute_consensusnetwork Compute consensus network of the trees passed via -t perl defined $tree_file1 perl ($value) ? "-net":"" min_threshold Specify a minimum threshold between 0 and 1 (-minsup) perl defined $tree_file1 perl ($value) ? "-minsup":"" burnin_value Specify a burn-in (-bi) perl defined $tree_file1 perl (defined $value) ? "-bi ($value)":"" target_treefile Specify an input “target” tree file (-sup) targetfile.tre perl (defined $value) ? "-sup targetfile.tre":"" -sup Specify an input “target” tree file. That means, support values are first extracted from the trees passed via -t, and then mapped onto the target tree. Resulting tree with assigned support values is written to .suptree file. This option is useful to map and compare support values from different approaches onto a single tree. nodetarget_treefile Specify name of a node in -sup target tree (-suptag) perl (defined $value) ? "-suptag $value":"" -suptag Specify name of a node in -sup target tree. The corresponding node of .suptree will then be assigned with IDs of trees where this node appears. Special option -suptag ALL will assign such IDs for all nodes of the target tree. robinsons_fouldsdist Computing Robinson's Foulds distances tree_file2 Specify a second set of trees treefile2.tre perl (defined $value) ? "-rf treefile2.tre":"" compute_rfdistances_all Compute all-to-all RF distances between all trees passed via -t (-rf_all) perl defined $tree_file1 perl ($value) ? "-rf_all":"" compute_rfdistances_adj Compute RF distances between adjacent trees passed via -t (-rf_adj) perl defined $tree_file1 perl ($value) ? "-rf_adj":"" generate_randomtrees Generate Random Trees num_taxa Specify number of taxa for the tree (-r) perl (defined $value) ? "-r $value":"" choose_randomtype Specify model for the trees -r -ru -rcat -rbal -rcsg specify_brlengths perl (defined $value) ? "-rcat $value":"" misc_options Miscellaneous Options write_locally_optimal Turn on writing all locally optimal trees (-wt) perl ($value) ? "-wt":"" fix_brlengths Turn on fixing branch lengths of tree passed via -t or -te (-fixbr) perl defined $tree_file1 || defined $fixed_usertree perl ($value) ? "-fixbr":"" -fixbr Turn on fixing branch lengths of tree passed via -t or -te. This is useful to evaluate the log-likelihood of an input tree with fixed tolopogy and branch lengths. write_sitelikelihoods Write log-likelihoods in TREE-PUZZLE format (-wsl) perl ($value) ? "-wsl":"" Turn on writing site log-likelihoods to .sitelh file in TREE-PUZZLE format. Such file can then be passed on to CONSEL for further tree tests. DEFAULT: OFF write_loglikelihoods Write log-likelihoods per rate category (-wslg) perl ($value) ? "-wslg":"" Turn on writing site log-likelihoods per rate category. DEFAULT: OFF list_csintegers Specify a list of comma-separated integer numbers (-fconst) integerfile.csv perl (defined $value) ? "-const integerfile.csv":"" Specify a list of comma-separated integer numbers. The number of entries should be equal to the number of states in the model (e.g. 4 for DNA and 20 for protein). IQ-TREE will then add a number of constant sites accordingly. For example, -fconst 10,20,15,40 will add 10 constant sites of all A, 20 constant sites of all C, 15 constant sites of all G and 40 constant sites of all T into the alignment. results *